5281515
  DSViewer          3D                             0

 39 40  0  0  0  0  0  0  0  0999 V2000
    1.7815    1.6412    0.6195 C   0  0  0  0  0  0  0  0  0  1
    2.5618    0.4258   -0.1033 C   0  0  1  0  0  0  0  0  0  2
    3.8478    0.6266    0.6756 C   0  0  2  0  0  0  0  0  0  3
    3.3194    1.9666    0.9700 C   0  0  0  0  0  0  0  0  0  4
    1.8145   -0.9963    0.1228 C   0  0  0  0  0  0  0  0  0  5
    1.8382    3.1692    0.4449 C   0  0  0  0  0  0  0  0  0  6
    1.0014    1.7494   -0.7094 C   0  0  0  0  0  0  0  0  0  7
    5.1376    0.5975   -0.1759 C   0  0  0  0  0  0  0  0  0  8
    2.4396   -2.2979   -0.6045 C   0  0  0  0  0  0  0  0  0  9
    6.2198   -0.4497    0.1572 C   0  0  0  0  0  0  0  0  0 10
    3.8778   -2.4883   -0.2715 C   0  0  0  0  0  0  0  0  0 11
    6.1859   -1.6573   -0.8665 C   0  0  0  0  0  0  0  0  0 12
    5.2962    1.4368   -1.2148 C   0  0  0  0  0  0  0  0  0 13
    4.7369   -1.9190   -1.1268 C   0  0  0  0  0  0  0  0  0 14
    4.2796   -3.0773    1.0742 C   0  0  0  0  0  0  0  0  0 15
    2.6990    0.6332   -1.1780 H   0  0  0  0  0  0  0  0  0 16
    3.8905   -0.0318    1.5566 H   0  0  0  0  0  0  0  0  0 17
    3.7425    2.7347    0.3226 H   0  0  0  0  0  0  0  0  0 18
    3.4596    2.2519    2.0126 H   0  0  0  0  0  0  0  0  0 19
    1.8085   -1.1940    1.1947 H   0  0  0  0  0  0  0  0  0 20
    0.7900   -0.8856   -0.2326 H   0  0  0  0  0  0  0  0  0 21
    1.1409    3.6407    1.1372 H   0  0  0  0  0  0  0  0  0 22
    1.5652    3.4289   -0.5780 H   0  0  0  0  0  0  0  0  0 23
    2.8487    3.5218    0.6514 H   0  0  0  0  0  0  0  0  0 24
    0.2733    2.5574   -0.6392 H   0  0  0  0  0  0  0  0  0 25
    0.4835    0.8104   -0.9047 H   0  0  0  0  0  0  0  0  0 26
    1.6961    1.9568   -1.5233 H   0  0  0  0  0  0  0  0  0 27
    1.8850   -3.1798   -0.2840 H   0  0  0  0  0  0  0  0  0 28
    2.3416   -2.1786   -1.6835 H   0  0  0  0  0  0  0  0  0 29
    7.1996    0.0259    0.1129 H   0  0  0  0  0  0  0  0  0 30
    6.0462   -0.8320    1.1631 H   0  0  0  0  0  0  0  0  0 31
    6.6963   -1.3873   -1.7911 H   0  0  0  0  0  0  0  0  0 32
    6.6601   -2.5377   -0.4329 H   0  0  0  0  0  0  0  0  0 33
    4.5097    2.1488   -1.4652 H   0  0  0  0  0  0  0  0  0 34
    6.2110    1.4049   -1.8065 H   0  0  0  0  0  0  0  0  0 35
    4.3450   -1.6200   -2.0990 H   0  0  0  0  0  0  0  0  0 36
    5.3661   -3.1393    1.1344 H   0  0  0  0  0  0  0  0  0 37
    3.8530   -4.0751    1.1766 H   0  0  0  0  0  0  0  0  0 38
    3.9076   -2.4396    1.8761 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  4  1  0  0  0
  1  6  1  0  0  0
  1  7  1  0  0  0
  2  3  1  0  0  0
  2  5  1  0  0  0
  2 16  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  3 17  1  0  0  0
  4 18  1  0  0  0
  4 19  1  0  0  0
  5  9  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  6 24  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  7 27  1  0  0  0
  8 10  1  0  0  0
  8 13  2  0  0  0
  9 11  1  0  0  0
  9 28  1  0  0  0
  9 29  1  0  0  0
 10 12  1  0  0  0
 10 30  1  0  0  0
 10 31  1  0  0  0
 11 14  2  0  0  0
 11 15  1  0  0  0
 12 14  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 14 36  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5281515

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
293

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAABgAAAAAAAAAAAAAAAAAEAAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,4E,9S)-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,4E,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene

> <PUBCHEM_IUPAC_NAME>
(1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,4E,9S)-4,11,11-trimethyl-8-methylidene-bicyclo[7.2.0]undec-4-ene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,4E,9S)-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
NPNUFJAVOOONJE-GFUGXAQUSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCCC(=C)C2CC(C2CC1)(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C/1=C\CCC(=C)[C@H]2CC([C@@H]2CC1)(C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.188

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
2  16  6
3  17  5

$$$$
